1OTA

E46Q MUTANT OF PHOTOACTIVE YELLOW PROTEIN, P63 AT 295K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	295
Detector technology	CCD
Collection date	2001-01-31
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	66.917, 66.917, 41.002
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.100
R-factor	0.153
Rwork	0.151
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2phy
RMSD bond length	0.016
RMSD bond angle	2.440
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.051	0.200
Number of reflections	42583
<I/σ(I)>	20	4.8
Completeness [%]	86.0	71.7
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	ammonium sulphate, sodium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K